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NCID-ZINC01662146

 MMsINC code: MMs02298991
Type: Neutral
Formula: C10H21NO2S
SMILES:   S(=O)(=O)(CCN1C(CCCC1C)C)C
InChI:   InChI=1/C10H21NO2S/c1-9-5-4-6-10(2)11(9)7-8-14(3,12)13/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=29.309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.349 g/mol  logS: -1.00817  SlogP: 1.2939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141538  Sterimol/B1: 2.07185  Sterimol/B2: 3.45002  Sterimol/B3: 3.52352
  Sterimol/B4: 6.69414  Sterimol/L: 12.7486 
 
 Surface and Volume Properties
  Accessible surface: 427.253  Positive charged surface: 279.68  Negative charged surface: 147.573  Volume: 218.125
  Hydrophobic surface: 325.376  Hydrophilic surface: 101.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02298992
NCID-ZINC01662146